SCHEMBL3860077

SCHEMBL3860077

NC(CCO)c1cccc(C#Cc2c(Cl)cccc2Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.35
TPSB2 P20231 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.33
ASIC3 Q9UHC3 1/20 0.33
S1PR1 P21453 1/20 0.31
ANPEP P15144 1/20 0.31
ENPEP Q07075 1/20 0.31
GBA1 P04062 1/20 0.30
GRM4 Q14833 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3867999 0.84 CFD (0.44) CFDTPSB2ASIC3ANPEPENPEP
SCHEMBL3859065 0.79 CFD (0.48) CFDTPSB2ASIC3ANPEPENPEP
SCHEMBL237225 0.78 OPRK1 (0.35) PTGDR2ASIC3GRM4
SCHEMBL16151063 0.77 CYP2A6 (0.44)
SCHEMBL21507539 0.76 GRM4 (0.47) CFDTPSB2S1PR1GRM4
SCHEMBL12488284 0.76 GRM4 (0.47) CFDTPSB2S1PR1GRM4
SCHEMBL25269085 0.75 PNMT (0.47) CFDTPSB2GBA1
SCHEMBL382070 0.75 PNMT (0.47) CFDTPSB2GBA1
SCHEMBL3870082 0.75 HTR2A (0.46) CFDTPSB2ASIC3
SCHEMBL3862593 0.75 PTGES (0.38) CFDTPSB2ANPEPENPEP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076122-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP disclosed
WO-2009005794-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-01-08 WO disclosed